Charging effects on the vibrational properties of Au and Au2 on MgO(100)

被引：0

作者：

Park, Jong Hwan ^{[1
]}

Yang, Jeong Woo ^{[1
]}

Byun, Min Gyo ^{[1
]}

Hwang, Nong Moon ^{[1
]}

Park, Jinwoo ^{[2
]}

Yu, Byung Deok ^{[2
]}

机构：

[1] Seoul Natl Univ, Dept Mat Sci & Engn, Seoul 08826, South Korea

[2] Univ Seoul, Dept Phys, Seoul 02504, South Korea

来源：

CURRENT APPLIED PHYSICS | 2022年 / 36卷

基金：

新加坡国家研究基金会;

关键词：

Ab-initio calculations; Au monomer; Au dimer; Charging effects; MgO(100) surfaces; Vibration; LOW-TEMPERATURE OXIDATION; AB-INITIO; SUPPORTED GOLD; CO OXIDATION; CATALYZED OXIDATION; CLUSTERS; FILMS; REACTIVITY; PARTICLES;

D O I：

10.1016/j.cap.2022.01.003

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Vibrational spectra of charge-neutral and charged Au and Au-2 on MgO(100) were investigated using ab-initio density functional perturbation theory. The calculated vibrational spectra showed vibrational features associated with the charge states of Au and Au-2 on MgO(100). Further analyses of surface in-plane and normal phonon modes of Au and Au-2 on MgO(100) were performed to extract vibrational features involving the Au modes. These features provide important information for experimentally explaining the charge states of Au and Au-2 on MgO (100).

引用

页码：34 / 42

页数：9

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